N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide

C17H14ClF3N2O3 — CID 108540873

IUPACN-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H14ClF3N2O3/c1-26-13-5-2-9(18)8-11(13)17(25)23-7-6-22-16(24)10-3-4-12(19)15(21)14(10)20/h2-5,8H,6-7H2,1H3,(H,22,24)(H,23,25)
InChIKeyKTDNABZDZPPVET-UHFFFAOYSA-N
MW386.76 g/mol
LogP2.93
Rot. Bonds6

About N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide

N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide (PubChem CID 108540873) has the molecular formula C17H14ClF3N2O3 and a molecular weight of 386.76 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
PubChem CID108540873
Molecular FormulaC17H14ClF3N2O3
Molecular Weight386.76 g/mol
Exact Mass386.06
IUPAC NameN-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H14ClF3N2O3/c1-26-13-5-2-9(18)8-11(13)17(25)23-7-6-22-16(24)10-3-4-12(19)15(21)14(10)20/h2-5,8H,6-7H2,1H3,(H,22,24)(H,23,25)
InChIKeyKTDNABZDZPPVET-UHFFFAOYSA-N
XLogP2.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994768
5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108540892
5-chloro-N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108540887
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide
CID 108572238
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 108540845
5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
CID 4632919
3,6-dichloro-N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2-methoxybenzamide
CID 108572251
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide
CID 114297830

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide (CID 108540873) is N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide is COc1ccc(Cl)cc1C(=O)NCCNC(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide?
The InChIKey is KTDNABZDZPPVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O3/c1-26-13-5-2-9(18)8-11(13)17(25)23-7-6-22-16(24)10-3-4-12(19)15(21)14(10)20/h2-5,8H,6-7H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide?
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide has a molecular weight of 386.76 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 108540873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).